General Information of the Compound
| Compound ID |
CP0496410
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| Compound Name |
1-(2,6-Difluoro-benzyl)-5-(2-fluoro-3-methoxy-phenyl)-6-methyl-3-{2-[methyl-(2-pyridin-2-yl-ethyl)-amino]-ethyl}-1H-pyrimidine-2,4-dione
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| Structure |
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| Formula |
C29H29F3N4O3
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| Molecular Weight |
538.57
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| Canonical SMILES |
COc1cccc(c1F)-c1c(C)n(Cc2c(F)cccc2F)c(=O)n(CCN(C)CCc2ccccn2)c1=O
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| InChI |
InChI=1S/C29H29F3N4O3/c1-19-26(21-9-6-12-25(39-3)27(21)32)28(37)35(17-16-34(2)15-13-20-8-4-5-14-33-20)29(38)36(19)18-22-23(30)10-7-11-24(22)31/h4-12,14H,13,15-18H2,1-3H3
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| InChIKey |
ADYYHGJMWPGLSW-UHFFFAOYSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound